V026-7049 Screening compound: 2-({[5-(2-chlorophenyl)-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazole-4-carboxylic acid

V026-7049 Screening compound: 2-({[5-(2-chlorophenyl)-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazole-4-carboxylic acid
V026-7049 Screening compound: 2-({[5-(2-chlorophenyl)-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazole-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-7049
2-({[5-(2-chlorophenyl)-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazole-4-carboxylic acid

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V026-7049

Molecular Formula

C19H12Cl2N4O2S2 (C19 H12 Cl2 N4 O2 S2)

Compound Name

2-({[5-(2-chlorophenyl)-4-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazole-4-carboxylic acid

IUPAC name

2-({[5-(2-chlorophenyl)-4-(3-chlorophenyl)-4H-124-triazol-3-yl]sulfanyl}methyl)-13-thiazole-4-carboxylic acid

SMILES

OC(c1csc(CSc2nnc(-c(cccc3)c3Cl)n2-c2cc(Cl)ccc2)n1)=O

InChI

InChI=1S/C19H12Cl2N4O2S2/c20-11-4-3-5-12(8-11)25-17(13-6-1-2-7-14(13)21)23-24-19(25)29-10-16-22-15(9-28-16)18(26)27/h1-9H,10H2,(H,26,27)

InChI Key

ZEZWMAUVGSXIIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19733171

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

463.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.971

Distribution Coefficient, logD

1.546

Water Solubility, LogSw

-4.52

Polar Surface Area

63.621

Acid Dissociation Constant (pKa)

3.97

Base Dissociation Constant (pKb)

2.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

V026-7049 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V026-7049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-7049?
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What is the minimum amount of V026-7049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-7049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-7049
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V026-7049 available by request